3-butyl-8-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[5-(2-chloro-4-nitrophenyl)-2-furanyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-7-methyl-xanthine Formula: C20H18ClN5O5 MolecularWeight: 443.84042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C20H18ClN5O5/c1-3-4-9-25-18-16(19(27)23-20(25)28)24(2)17(22-18)15-8-7-14(31-15)12-6-5-11(26(29)30)10-13(12)21/h5-8,10H,3-4,9H2,1-2H3,(H,23,27,28)